Molecule

ID:101144

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8,11H,5-7H2
InChIKey
UPDSWAQIQZFOLF-UHFFFAOYSA-N
Canonic Smiles
OCC1COc2c(C1)cccc2
Isomeric Smiles
O1c2c(CC(C1)CO)cccc2
Calculated Properties
JChem
Acid pKa
15.386651
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2698827
LogD (pH = 7.4)
1.2698827
Log P
1.2698827
Molar Refractivity
46.7333
Polarizability
18.181374
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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